tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate

C17H26N4O3 — CID 110312079

IUPACtert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCN(C)c1ncccc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)21-11-9-20(10-12-21)15(22)13-7-6-8-18-14(13)19(4)5/h6-8H,9-12H2,1-5H3
InChIKeyLGVMVFANEULVHG-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.84
Rot. Bonds2

About tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate

tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 110312079) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
PubChem CID110312079
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCN(C)c1ncccc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)21-11-9-20(10-12-21)15(22)13-7-6-8-18-14(13)19(4)5/h6-8H,9-12H2,1-5H3
InChIKeyLGVMVFANEULVHG-UHFFFAOYSA-N
XLogP1.84
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56817493
tert-butyl 4-[3-(acetamidocarbamoyl)-2-pyridinyl]piperazine-1-carboxylate
CID 139512603
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
CID 60551277
1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 48873718
[2-(dimethylamino)-3-pyridinyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 110301269
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
tert-butyl 4-[(3-cyano-2-pyridinyl)-methylamino]piperidine-1-carboxylate
CID 59362085
tert-butyl 4-(2-ethylsulfonylbenzoyl)piperazine-1-carboxylate
CID 38152114
tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate
CID 59511347
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 110411350
tert-butyl 4-(2-isocyanatobenzoyl)piperazine-1-carboxylate
CID 169353901

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate (CID 110312079) is tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate is CN(C)c1ncccc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is LGVMVFANEULVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)21-11-9-20(10-12-21)15(22)13-7-6-8-18-14(13)19(4)5/h6-8H,9-12H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 110312079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).